U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C62H88N13O14P.C2H3O2.Co
Molecular Weight 1388.3918
Optical Activity UNSPECIFIED
Defined Stereocenters 13 / 14
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HYDROXOCOBALAMIN ACETATE

SMILES

[Co+3].CC([O-])=O.C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)C2[N-]C1=C(C)C3=NC(=CC4=NC(=C(C)C5=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)C(C)(C)[C@@H]3CCC(N)=O)OP([O-])(=O)O[C@@H]6[C@@H](CO)O[C@@H]([C@@H]6O)N7C=NC8=C7C=C(C)C(C)=C8

InChI

InChIKey=KPFAAKYTRSSOQN-UVKKECPRSA-K
InChI=1S/C62H90N13O14P.C2H4O2.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-2(3)4;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);1H3,(H,3,4);/q;;+3/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56?,57+,59-,60+,61+,62+;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
HYDROXOCOBALAMIN ACETATE
EP   MART.   USP-RS   VANDF   WHO-DD  
Common Name English
HYDROXOCOBALAMIN ACETATE [EP MONOGRAPH]
Common Name English
HYDROXOCOBALAMIN ACETATE [JAN]
Common Name English
HYDROXOCOBALAMIN ACETATE [VANDF]
Common Name English
HYDROXOCOBALAMIN ACETATE [MART.]
Common Name English
HYDROXOCOBALAMIN ACETATE [USP-RS]
Common Name English
ACETATOCOBALAMIN [MI]
Common Name English
Hydroxocobalamin acetate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C26017
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C77156
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
DRUG BANK
DBSALT001895
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
DAILYMED
S535M27N3Q
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
PUBCHEM
131634603
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
DRUG CENTRAL
4644
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
EVMPD
SUB02579MIG
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
CAS
214142-68-4
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
NON-SPECIFIC SUBSTITUTION
ECHA (EC/EINECS)
245-019-7
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
FDA UNII
S535M27N3Q
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
RXCUI
236302
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL2103737
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
CAS
22465-48-1
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID8046901
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
SMS_ID
100000089042
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY
MERCK INDEX
m6116
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY Merck Index
RS_ITEM_NUM
1324308
Created by admin on Sat Dec 16 06:45:08 UTC 2023 , Edited by admin on Sat Dec 16 06:45:08 UTC 2023
PRIMARY